(3aS,4R,8R,8aS)-4,8-Dibenzyl-5-(3-hydroxy-1H-indazol-5-ylmethyl)-2,2-dimethyl-7-(3-nitro-benzyl)-hexahydro-1,3-dioxa-5,7-diaza-azulen-6-one

Base Information

• Chemical Name: (3aS,4R,8R,8aS)-4,8-Dibenzyl-5-(3-hydroxy-1H-indazol-5-ylmethyl)-2,2-dimethyl-7-(3-nitro-benzyl)-hexahydro-1,3-dioxa-5,7-diaza-azulen-6-one
• CAS No.: 256345-53-6
• Molecular Formula: C₃₇H₃₇N₅O₆
• Molecular Weight: 647.731
• Mol file: 256345-53-6.mol

Synonyms:(3aS,4R,8R,8aS)-4,8-Dibenzyl-5-(3-hydroxy-1H-indazol-5-ylmethyl)-2,2-dimethyl-7-(3-nitro-benzyl)-hexahydro-1,3-dioxa-5,7-diaza-azulen-6-one

Chemical Property of (3aS,4R,8R,8aS)-4,8-Dibenzyl-5-(3-hydroxy-1H-indazol-5-ylmethyl)-2,2-dimethyl-7-(3-nitro-benzyl)-hexahydro-1,3-dioxa-5,7-diaza-azulen-6-one

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of (3aS,4R,8R,8aS)-4,8-Dibenzyl-5-(3-hydroxy-1H-indazol-5-ylmethyl)-2,2-dimethyl-7-(3-nitro-benzyl)-hexahydro-1,3-dioxa-5,7-diaza-azulen-6-one

There total 5 articles about (3aS,4R,8R,8aS)-4,8-Dibenzyl-5-(3-hydroxy-1H-indazol-5-ylmethyl)-2,2-dimethyl-7-(3-nitro-benzyl)-hexahydro-1,3-dioxa-5,7-diaza-azulen-6-one which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 42.0%

5-[(3aS,4R,8R,8aS)-4,8-Dibenzyl-2,2-dimethyl-7-(3-nitro-benzyl)-6-oxo-hexahydro-1,3-dioxa-5,7-diaza-azulen-5-ylmethyl]-2-fluoro-benzoic acid methyl ester (256345-52-5) → (3aS,4R,8R,8aS)-4,8-Dibenzyl-5-(3-hydroxy-1H-indazol-5-ylmethyl)-2,2-dimethyl-7-(3-nitro-benzyl)-hexahydro-1,3-dioxa-5,7-diaza-azulen-6-one (256345-53-6)

Guidance literature:

With hydrazine; In butan-1-ol; for 6h; Heating;

DOI:10.1016/S0960-894X(99)00564-8

Reference yield:

2-fluoro-5-methylbenzonitrile (64113-84-4) → (3aS,4R,8R,8aS)-4,8-Dibenzyl-5-(3-hydroxy-1H-indazol-5-ylmethyl)-2,2-dimethyl-7-(3-nitro-benzyl)-hexahydro-1,3-dioxa-5,7-diaza-azulen-6-one (256345-53-6)

Guidance literature:

Multi-step reaction with 5 steps

1: 75 percent aq. H₂SO₄ / 0.5 h / 150 °C

2: aq. HCl / 14 h / Heating

3: 15 percent / NBS; (PhCO)2O₂ / CCl₄

4: 52 percent / acetonitrile / 48 h / Heating

5: 42 percent / NH₂NH₂ / butan-1-ol / 6 h / Heating

With hydrogenchloride; N-Bromosuccinimide; sulfuric acid; hydrazine; dibenzoyl peroxide; In tetrachloromethane; acetonitrile; butan-1-ol; 1: Hydrolysis / 2: Esterification / 3: Bromination / 4: Alkylation / 5: Condensation;

DOI:10.1016/S0960-894X(99)00564-8

Reference yield:

2-fluoro-5-methyl-benzoic acid (321-12-0) → (3aS,4R,8R,8aS)-4,8-Dibenzyl-5-(3-hydroxy-1H-indazol-5-ylmethyl)-2,2-dimethyl-7-(3-nitro-benzyl)-hexahydro-1,3-dioxa-5,7-diaza-azulen-6-one (256345-53-6)

Guidance literature:

Multi-step reaction with 4 steps

1: aq. HCl / 14 h / Heating

2: 15 percent / NBS; (PhCO)2O₂ / CCl₄

3: 52 percent / acetonitrile / 48 h / Heating

4: 42 percent / NH₂NH₂ / butan-1-ol / 6 h / Heating

With hydrogenchloride; N-Bromosuccinimide; hydrazine; dibenzoyl peroxide; In tetrachloromethane; acetonitrile; butan-1-ol; 1: Esterification / 2: Bromination / 3: Alkylation / 4: Condensation;

DOI:10.1016/S0960-894X(99)00564-8

upstream raw materials:

5-[(3aS,4R,8R,8aS)-4,8-Dibenzyl-2,2-dimethyl-7-(3-nitro-benzyl)-6-oxo-hexahydro-1,3-dioxa-5,7-diaza-azulen-5-ylmethyl]-2-fluoro-benzoic acid methyl ester

2-fluoro-5-methylbenzonitrile

2-fluoro-5-methyl-benzoic acid

2-fluoro-5-bromomethyl benzoic acid methyl ester

Downstream raw materials:

5-[(3aS,4R,8R,8aS)-4,8-Dibenzyl-2,2-dimethyl-7-(3-nitro-benzyl)-6-oxo-hexahydro-1,3-dioxa-5,7-diaza-azulen-5-ylmethyl]-3-hydroxy-indazole-1-carboxylic acid tert-butyl ester

5-[(3aS,4R,8R,8aS)-7-(3-Amino-benzyl)-4,8-dibenzyl-2,2-dimethyl-6-oxo-hexahydro-1,3-dioxa-5,7-diaza-azulen-5-ylmethyl]-3-thiophen-3-yl-indazole-1-carboxylic acid tert-butyl ester

5-[(3aS,4R,8R,8aS)-7-(3-Amino-benzyl)-4,8-dibenzyl-2,2-dimethyl-6-oxo-hexahydro-1,3-dioxa-5,7-diaza-azulen-5-ylmethyl]-3-thiophen-2-yl-indazole-1-carboxylic acid tert-butyl ester

5-[(3aS,4R,8R,8aS)-4,8-Dibenzyl-2,2-dimethyl-7-(3-nitro-benzyl)-6-oxo-hexahydro-1,3-dioxa-5,7-diaza-azulen-5-ylmethyl]-3-thiophen-2-yl-indazole-1-carboxylic acid tert-butyl ester